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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Flavonoids (863)
Cinnamic acids and derivatives (840)
Coumarins and derivatives (667)
Linear 1 3-diarylpropanoids (417)
Phenylpropanoic acids (332)
Depsides and depsidones (285)
Isoflavonoids (201)
Cinnamaldehydes (121)
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Macrolide lactams (80)
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181 – 195 of 3,528 results
181

Pentafluorophenyl 4-morpholinobenzoate, 97%, Thermo Scientific™

CAS: 921938-51-4 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09817462 InChI Key: UJYQDNSLPIRXRT-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229462 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F

PubChem CID 24229462
CAS 921938-51-4
Molecular Weight (g/mol) 373.28
MDL Number MFCD09817462
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F
Synonym pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate
InChI Key UJYQDNSLPIRXRT-UHFFFAOYSA-N
Molecular Formula C17H12F5NO3
182

3-[4-(Trifluoromethoxy)phenyl]acrylic acid, 97%, Thermo Scientific™

CAS: 783-13-1 Molecular Formula: C10H7F3O3 Molecular Weight (g/mol): 232.158 MDL Number: MFCD00066338 InChI Key: RNYVTJANWYBGPW-ZZXKWVIFSA-N Synonym: 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid PubChem CID: 735857 IUPAC Name: (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F

PubChem CID 735857
CAS 783-13-1
Molecular Weight (g/mol) 232.158
MDL Number MFCD00066338
SMILES C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F
Synonym 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid
IUPAC Name (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI Key RNYVTJANWYBGPW-ZZXKWVIFSA-N
Molecular Formula C10H7F3O3
183

Thermo Scientific Chemicals Fisetin

CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

CAS 528-48-3
Molecular Weight (g/mol) 286.24
SMILES OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula C15H10O6
184

3',4',5,7-Tetrahydroxyflavone, 97%

CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00017309 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O

PubChem CID 5280445
CAS 491-70-3
Molecular Weight (g/mol) 286.239
ChEBI CHEBI:15864
MDL Number MFCD00017309
SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
Synonym luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
InChI Key IQPNAANSBPBGFQ-UHFFFAOYSA-N
Molecular Formula C15H10O6
185

4',5,7-Trihydroxyflavanone, 97%

CAS: 480-41-1 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.26 MDL Number: MFCD00006844 InChI Key: FTVWIRXFELQLPI-CYBMUJFWSA-N Synonym: 2r-naringenin,r-naringenin,naringenin,2r-5,7-dihydroxy-2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one,--naringenin,+-2r-5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,2,3-dihydro-5,7-dihydroxy-2-4-hydroxyphenyl-4-benzopyrone,+-naringenin,2r-5,7,4'-trihydroxyflavone,2r-4',5,7-trihydroxyflavanone PubChem CID: 667495 ChEBI: CHEBI:50201 IUPAC Name: (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

PubChem CID 667495
CAS 480-41-1
Molecular Weight (g/mol) 272.26
ChEBI CHEBI:50201
MDL Number MFCD00006844
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Synonym 2r-naringenin,r-naringenin,naringenin,2r-5,7-dihydroxy-2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one,--naringenin,+-2r-5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,2,3-dihydro-5,7-dihydroxy-2-4-hydroxyphenyl-4-benzopyrone,+-naringenin,2r-5,7,4'-trihydroxyflavone,2r-4',5,7-trihydroxyflavanone
IUPAC Name (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key FTVWIRXFELQLPI-CYBMUJFWSA-N
Molecular Formula C15H12O5
186

2',3-Dihydroxyflavone, 97%, Thermo Scientific Chemicals

CAS: 6068-76-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00017674 InChI Key: VECGDSZOFMYGAF-UHFFFAOYSA-N Synonym: 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 PubChem CID: 455313 IUPAC Name: 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1

PubChem CID 455313
CAS 6068-76-4
Molecular Weight (g/mol) 254.24
MDL Number MFCD00017674
SMILES OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1
Synonym 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1
IUPAC Name 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one
InChI Key VECGDSZOFMYGAF-UHFFFAOYSA-N
Molecular Formula C15H10O4
187

Thermo Scientific Chemicals Metacycline hydrochloride, 98%, sec. Standard

CAS: 3963-95-9 Molecular Formula: C22H22N2O8·HCl Molecular Weight (g/mol): 478.9 MDL Number: MFCD04972012 InChI Key: VXPSARQTYDZXAO-CCHMMTNSSA-N Synonym: methacycline hydrochloride,methacycline hcl,adriamicina,ciclobiotic,germiciclin,rondomycin,metadomus,metacycline hydrochloride,globociclina,metilenbiotic PubChem CID: 54685047 IUPAC Name: (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O.Cl

PubChem CID 54685047
CAS 3963-95-9
Molecular Weight (g/mol) 478.9
MDL Number MFCD04972012
SMILES CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O.Cl
Synonym methacycline hydrochloride,methacycline hcl,adriamicina,ciclobiotic,germiciclin,rondomycin,metadomus,metacycline hydrochloride,globociclina,metilenbiotic
IUPAC Name (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key VXPSARQTYDZXAO-CCHMMTNSSA-N
Molecular Formula C22H22N2O8·HCl
188

Minocycline Hydrochloride, MP Biomedicals™

CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C

PubChem CID 54685925
CAS 13614-98-7
Molecular Weight (g/mol) 493.94
MDL Number MFCD00083669
SMILES [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
Synonym minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino
IUPAC Name hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride
InChI Key KDLQIOPKJDNQIM-WUURTAMISA-N
Molecular Formula C23H28ClN3O7
189

4-Chloro-alpha-methylphenylacetic acid, 97%

CAS: 938-95-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00044670 InChI Key: YOZILQVNIWNPFP-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid PubChem CID: 102525 IUPAC Name: 2-(4-chlorophenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O

PubChem CID 102525
CAS 938-95-4
Molecular Weight (g/mol) 184.619
MDL Number MFCD00044670
SMILES CC(C1=CC=C(C=C1)Cl)C(=O)O
Synonym 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid
IUPAC Name 2-(4-chlorophenyl)propanoic acid
InChI Key YOZILQVNIWNPFP-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
190

4-Ethoxycinnamic acid, prediminantly trans, 98+%

CAS: 2373-79-7 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00016848 InChI Key: DZLOUWYGNATKKZ-VMPITWQZSA-N Synonym: 4-ethoxycinnamic acid,3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl prop-2-enoic acid,e-3-4-ethoxyphenyl acrylic acid,e-3-4-ethoxyphenyl prop-2-enoic acid,4-ethoxyphenylacrylic acid,p-ethoxycinnamic acid,ethoxyphenylacrylicacid,pubchem8239 PubChem CID: 704218 IUPAC Name: (E)-3-(4-ethoxyphenyl)prop-2-enoic acid SMILES: CCOC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 704218
CAS 2373-79-7
Molecular Weight (g/mol) 192.214
MDL Number MFCD00016848
SMILES CCOC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-ethoxycinnamic acid,3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl prop-2-enoic acid,e-3-4-ethoxyphenyl acrylic acid,e-3-4-ethoxyphenyl prop-2-enoic acid,4-ethoxyphenylacrylic acid,p-ethoxycinnamic acid,ethoxyphenylacrylicacid,pubchem8239
IUPAC Name (E)-3-(4-ethoxyphenyl)prop-2-enoic acid
InChI Key DZLOUWYGNATKKZ-VMPITWQZSA-N
Molecular Formula C11H12O3
191

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002213 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
MDL Number MFCD00002213
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
192

1,3-Diphenyl-2-propyn-1-ol, tech. 90%

CAS: 1817-49-8 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD06654198 InChI Key: DZZWMODRWHHWFR-UHFFFAOYSA-N Synonym: 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol PubChem CID: 296659 IUPAC Name: 1,3-diphenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O

PubChem CID 296659
CAS 1817-49-8
Molecular Weight (g/mol) 208.26
MDL Number MFCD06654198
SMILES C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
Synonym 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol
IUPAC Name 1,3-diphenylprop-2-yn-1-ol
InChI Key DZZWMODRWHHWFR-UHFFFAOYSA-N
Molecular Formula C15H12O
193

(-)-Epicatechin

CAS: 490-46-0 Molecular Formula: C15H14O6 Molecular Weight (g/mol): 290.271 MDL Number: MFCD00075648 InChI Key: PFTAWBLQPZVEMU-UKRRQHHQSA-N Synonym: --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin PubChem CID: 72276 ChEBI: CHEBI:90 IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

PubChem CID 72276
CAS 490-46-0
Molecular Weight (g/mol) 290.271
ChEBI CHEBI:90
MDL Number MFCD00075648
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Synonym --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin
IUPAC Name (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-N
Molecular Formula C15H14O6
194

p-Coumaric Acid, MP Biomedicals

CAS: 7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

PubChem CID 637542
CAS 7400-08-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:32374
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
IUPAC Name (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Molecular Formula C9H8O3
195

Dicumarol

CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

PubChem CID 54676038
CAS 66-76-2
Molecular Weight (g/mol) 336.30
ChEBI CHEBI:4513
MDL Number MFCD00006857
SMILES OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Synonym dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
IUPAC Name 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
InChI Key DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula C19H12O6